Data ArticleSynthesis, characterization, crystal structure and Hirshfeld surface analysis of 1-(4-ethoxyphenyl)-3-(4-methylphenyl) prop-2en-1-one

Add time:08/22/2019    Source:sciencedirect.com

The title compound 1-(4-ethoxyphenyl)-3-(4-methylphenyl) prop-2en-1-one has been synthesized, characterized by NMR, IR and mass spectral analysis, and finally the structure was confirmed by single crystal X-ray diffraction studies. The title compound C18H18O2 crystallizes in the monoclinic crystal system, in P21/c space group with unit cell parameters, a = 5.884(3) Å, b = 17.472(1) Å, c = 14.375(8) Å, β = 99.268(10)° and Z = 4. The crystal structure of the title compound exhibits intra molecular interaction of the type CH···O and the molecular structure is stabilized by short contacts (π···π and CH···π interactions). Further, the Hirshfeld surface analysis reveals the nature of molecular interactions; the fingerprint plot provides the information about the percentage contribution from each individual intermolecular contacts, and it shows that the H···H interactions has the major contribution (54.7%).

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